CID 3071742

Brn 5350220

Structural Information

Molecular Formula
C13H21N3O3S
SMILES
CCN1CCCC1CNS(=O)(=O)C2=C(C=CN=C2)OC
InChI
InChI=1S/C13H21N3O3S/c1-3-16-8-4-5-11(16)9-15-20(17,18)13-10-14-7-6-12(13)19-2/h6-7,10-11,15H,3-5,8-9H2,1-2H3
InChIKey
PQGOKXCXBIYLOX-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.13037 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13765 168.7
[M+Na]+ 322.11959 177.6
[M+NH4]+ 317.16419 174.6
[M+K]+ 338.09353 172.7
[M-H]- 298.12309 169.6
[M+Na-2H]- 320.10504 172.9
[M]+ 299.12982 170.3
[M]- 299.13092 170.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.